4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid

C10H13N3O3S — CID 60807914

IUPAC4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cnsn1
InChIInChI=1S/C10H13N3O3S/c14-9(8-5-11-17-13-8)12-7-3-1-6(2-4-7)10(15)16/h5-7H,1-4H2,(H,12,14)(H,15,16)
InChIKeyLVDZWTCKFBCFOU-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.91
Rot. Bonds3

About 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid

4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 60807914) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID60807914
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cnsn1
InChIInChI=1S/C10H13N3O3S/c14-9(8-5-11-17-13-8)12-7-3-1-6(2-4-7)10(15)16/h5-7H,1-4H2,(H,12,14)(H,15,16)
InChIKeyLVDZWTCKFBCFOU-UHFFFAOYSA-N
XLogP0.91
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 120675557
N-cyclopropyl-1,2,5-thiadiazole-3-carboxamide
CID 60858227
N-[(3R)-pyrrolidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 79685297
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 62958596
4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 139013608
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide
CID 43595660
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229809

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 60807914) is 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cnsn1.
What is the InChIKey of 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LVDZWTCKFBCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-9(8-5-11-17-13-8)12-7-3-1-6(2-4-7)10(15)16/h5-7H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60807914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).